On the structure of SbTeI

摘要

Antimony telluroiodide (SbTeI) is predicted to be a promising material in many technological applications based on theoretical simulations; however, the bulk structure solution remains elusive. We consolidate SbTeI belonging to the base-centered monoclinic lattice with a space group C 2/m by combining single crystal x-ray diffraction and x-ray photoemission spectroscopy techniques. The atomic arrangement of the reported crystal structure is remarkable with one-dimensional double-chains forming two-dimensional blocks. In this structure, the Sb~(3+) ion is surrounded by Te~(2-) and I~-, which is distinguishable by an incomplete polyhedron resulting in 5s~2 (Sb) lone pair electrons in the valence band. Manipulation of this material with pressure to induce novel structures and properties is highly anticipated.